CID 12668434
PubChem CID: 12668434
Connections displayed (default: 10).
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| Ghose Rule | False |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 15.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | [CH]1CCCC1 |
| Deep Smiles | N[C]=CC=C5 |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Heteroaromatic compounds |
| Scaffold Graph Node Level | [CH]1CCCN1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 26.8 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H4N |
| Scaffold Graph Node Bond Level | [c]1ccc[nH]1 |
| Inchi Key | HPVLTCVIGICMSV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1h-pyrrole |
| Esol Class | Very soluble |
| Functional Groups | [c][nH]c |
| Compound Name | CID 12668434 |
| Exact Mass | 66.0344 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 66.0344 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 66.08 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H4N/c1-2-4-5-3-1/h1-3,5H |
| Smiles | C1=CN[C]=C1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.977580 - 2. Outgoing r'ship
FOUND_INto/from Coffea Canephora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.977580 - 3. Outgoing r'ship
FOUND_INto/from Colocasia Esculenta (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700849 - 4. Outgoing r'ship
FOUND_INto/from Syzygium Malaccense (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1269 - 5. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698731